(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane

C14H19INOP — CID 166952124

IUPAC(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane
SMILESC=CCC1CN(Cc2ccccc2)CC1OPI
InChIInChI=1S/C14H19INOP/c1-2-6-13-10-16(11-14(13)17-18-15)9-12-7-4-3-5-8-12/h2-5,7-8,13-14,18H,1,6,9-11H2
InChIKeyQITDRNLVNHUMAW-UHFFFAOYSA-N
MW375.19 g/mol
LogP4.02
Rot. Bonds6

About (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane

(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane (PubChem CID 166952124) has the molecular formula C14H19INOP and a molecular weight of 375.19 g/mol. Its IUPAC name is (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane.

Molecular Properties

Compound Name(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane
PubChem CID166952124
Molecular FormulaC14H19INOP
Molecular Weight375.19 g/mol
Exact Mass375.02
IUPAC Name(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane
SMILESC=CCC1CN(Cc2ccccc2)CC1OPI
InChIInChI=1S/C14H19INOP/c1-2-6-13-10-16(11-14(13)17-18-15)9-12-7-4-3-5-8-12/h2-5,7-8,13-14,18H,1,6,9-11H2
InChIKeyQITDRNLVNHUMAW-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[1-benzyl-4-(pent-4-enoyloxymethyl)pyrrolidin-3-yl]methyl pent-4-enoate
CID 75395316
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3R,4S)-4-(aminomethyl)-1-benzylpyrrolidin-3-ol;(Z)-but-2-enedioic acid
CID 70563777
(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
2-[[(3R,4R)-1-benzyl-4-prop-2-enoxypyrrolidin-3-yl]methyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine
CID 44543307
(3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium
CID 51614151

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane?
The IUPAC name of (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane (CID 166952124) is (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane.
What is the SMILES notation for (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane?
The canonical SMILES for (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane is C=CCC1CN(Cc2ccccc2)CC1OPI.
What is the InChIKey of (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane?
The InChIKey is QITDRNLVNHUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19INOP/c1-2-6-13-10-16(11-14(13)17-18-15)9-12-7-4-3-5-8-12/h2-5,7-8,13-14,18H,1,6,9-11H2.
What are the key properties of (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane?
(1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane has a molecular weight of 375.19 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-prop-2-enylpyrrolidin-3-yl)oxy-iodophosphane is sourced from PubChem (CID 166952124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).